SIMILAR PATTERNS OF AMINO ACIDS FOR 4QVY_Y_BO2Y301

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a5i PLASMINOGEN
ACTIVATOR

(Desmodus
rotundus) 		PF00089
(Trypsin) 		6 ALA A  55
THR A  54
ALA A 104
ALA A  56
GLY A 211
THR A 229
 None
 1.50A 4qvyY-1a5iA:
undetectable
4qvyZ-1a5iA:
undetectable		 4qvyY-1a5iA:
22.91
4qvyZ-1a5iA:
23.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ef9 METHYLMALONYL COA
DECARBOXYLASE

(Escherichia
coli) 		PF00378
(ECH_1) 		5 ALA A 169
THR A 168
ALA A 172
VAL A 181
GLY A 105
 None
 0.93A 4qvyY-1ef9A:
undetectable
4qvyZ-1ef9A:
undetectable		 4qvyY-1ef9A:
20.22
4qvyZ-1ef9A:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iy8 LEVODIONE REDUCTASE

(Leifsonia
aquatica) 		PF13561
(adh_short_C2) 		5 THR A  19
THR A 150
ALA A 151
ALA A 192
GLY A 127
 None
NAD  A1268 (-3.8A)
None
None
None
 0.90A 4qvyY-1iy8A:
undetectable
4qvyZ-1iy8A:
undetectable		 4qvyY-1iy8A:
24.19
4qvyZ-1iy8A:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iy8 LEVODIONE REDUCTASE

(Leifsonia
aquatica) 		PF13561
(adh_short_C2) 		5 THR A  19
THR A 150
ALA A 151
ALA A 192
VAL A 147
 None
NAD  A1268 (-3.8A)
None
None
None
 0.96A 4qvyY-1iy8A:
undetectable
4qvyZ-1iy8A:
undetectable		 4qvyY-1iy8A:
24.19
4qvyZ-1iy8A:
22.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j2q PROTEASOME BETA
SUBUNIT

(Archaeoglobus
fulgidus) 		PF00227
(Proteasome) 		5 ALA H  20
THR H  21
ALA H  27
LYS H  33
GLY H  47
 CIB  H1001 (-3.8A)
CIB  H1001 (-4.5A)
CIB  H1001 (-3.5A)
CIB  H1001 (-4.0A)
CIB  H1001 (-4.4A)
 0.78A 4qvyY-1j2qH:
16.5
4qvyZ-1j2qH:
24.6		 4qvyY-1j2qH:
30.37
4qvyZ-1j2qH:
26.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j2q PROTEASOME BETA
SUBUNIT

(Archaeoglobus
fulgidus) 		PF00227
(Proteasome) 		5 THR H   1
ALA H  20
THR H  21
ALA H  27
LYS H  33
 CIB  H1001 (-1.9A)
CIB  H1001 (-3.8A)
CIB  H1001 (-4.5A)
CIB  H1001 (-3.5A)
CIB  H1001 (-4.0A)
 0.25A 4qvyY-1j2qH:
16.5
4qvyZ-1j2qH:
24.6		 4qvyY-1j2qH:
30.37
4qvyZ-1j2qH:
26.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kig FACTOR XA

(Bos taurus) 		PF00089
(Trypsin) 		6 ALA H  55
THR H  54
ALA H 104
ALA H  56
GLY H 211
THR H 229
 None
 1.35A 4qvyY-1kigH:
undetectable
4qvyZ-1kigH:
undetectable		 4qvyY-1kigH:
20.62
4qvyZ-1kigH:
24.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1md7 C1R COMPLEMENT
SERINE PROTEASE

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		6 ALA A 483
THR A 482
ALA A 542
ALA A 484
GLY A 655
THR A 671
 None
 1.49A 4qvyY-1md7A:
undetectable
4qvyZ-1md7A:
undetectable		 4qvyY-1md7A:
21.98
4qvyZ-1md7A:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pfx FACTOR IXA

(Sus scrofa) 		PF00089
(Trypsin) 		6 ALA C  55
THR C  54
ALA C 104
ALA C  56
GLY C 211
THR C 229
 None
 1.36A 4qvyY-1pfxC:
undetectable
4qvyZ-1pfxC:
undetectable		 4qvyY-1pfxC:
24.28
4qvyZ-1pfxC:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		6 ALA H  20
THR H  21
ALA H  27
VAL H  31
LYS H  33
GLY H  47
 None
 0.68A 4qvyY-1q5qH:
14.8
4qvyZ-1q5qH:
22.3		 4qvyY-1q5qH:
27.31
4qvyZ-1q5qH:
24.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		6 THR H   1
ALA H  20
THR H  21
ALA H  27
VAL H  31
LYS H  33
 None
 0.33A 4qvyY-1q5qH:
14.8
4qvyZ-1q5qH:
22.3		 4qvyY-1q5qH:
27.31
4qvyZ-1q5qH:
24.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q5r PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		5 ALA H  20
THR H  21
ALA H  27
VAL H  31
GLY H  47
 None
 0.62A 4qvyY-1q5rH:
13.4
4qvyZ-1q5rH:
22.1		 4qvyY-1q5rH:
26.96
4qvyZ-1q5rH:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		5 ALA A 168
THR A 169
ALA A 170
ALA A 241
GLY A 148
 None
 0.91A 4qvyY-1ulvA:
undetectable
4qvyZ-1ulvA:
undetectable		 4qvyY-1ulvA:
11.85
4qvyZ-1ulvA:
13.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v26 LONG-CHAIN-FATTY-ACI
D-COA SYNTHETASE

(Thermus
thermophilus) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 THR A 101
ALA A 102
ALA A  76
VAL A  98
GLY A 193
 None
 0.92A 4qvyY-1v26A:
undetectable
4qvyZ-1v26A:
undetectable		 4qvyY-1v26A:
19.51
4qvyZ-1v26A:
18.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zk7 MERCURIC REDUCTASE

(Pseudomonas
aeruginosa) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A  19
THR A 325
ALA A 323
ALA A 327
GLY A  13
 None
SO4  A2001 (-4.6A)
None
None
FAD  A 666 (-3.4A)
 0.90A 4qvyY-1zk7A:
undetectable
4qvyZ-1zk7A:
undetectable		 4qvyY-1zk7A:
19.27
4qvyZ-1zk7A:
18.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dl2 PROTEIN (MHC CLASS I
NK CELL RECEPTOR
PRECURSOR (P58
NATURAL KILLER CELL
RECEPTOR CLONE
CL-43))

(Homo sapiens) 		PF00047
(ig) 		5 ALA A 169
THR A 170
ALA A 120
VAL A 124
GLY A 173
 None
 0.99A 4qvyY-2dl2A:
undetectable
4qvyZ-2dl2A:
undetectable		 4qvyY-2dl2A:
22.75
4qvyZ-2dl2A:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ei8 COAGULATION FACTOR
X, HEAVY CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		6 ALA A  55
THR A  54
ALA A 104
ALA A  56
GLY A 211
THR A 229
 None
 1.48A 4qvyY-2ei8A:
undetectable
4qvyZ-2ei8A:
undetectable		 4qvyY-2ei8A:
22.51
4qvyZ-2ei8A:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ej5 ENOYL-COA HYDRATASE
SUBUNIT II

(Geobacillus
kaustophilus) 		PF00378
(ECH_1) 		5 ALA A 169
THR A 168
ALA A 172
VAL A 181
GLY A 105
 None
 1.01A 4qvyY-2ej5A:
undetectable
4qvyZ-2ej5A:
undetectable		 4qvyY-2ej5A:
21.85
4qvyZ-2ej5A:
26.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fbm Y CHROMOSOME
CHROMODOMAIN PROTEIN
1, TELOMERIC ISOFORM
B

(Homo sapiens) 		PF00378
(ECH_1) 		5 ALA A 453
THR A 452
ALA A 456
VAL A 465
GLY A 389
 None
 1.04A 4qvyY-2fbmA:
undetectable
4qvyZ-2fbmA:
undetectable		 4qvyY-2fbmA:
19.19
4qvyZ-2fbmA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h8x XENOBIOTIC REDUCTASE
A

(Pseudomonas
putida) 		PF00724
(Oxidored_FMN) 		5 ALA A  59
THR A  58
ALA A  57
ALA A 101
GLY A  69
 None
None
FMN  A1401 (-3.1A)
None
None
 0.82A 4qvyY-2h8xA:
undetectable
4qvyZ-2h8xA:
undetectable		 4qvyY-2h8xA:
19.67
4qvyZ-2h8xA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iex DIHYDROXYNAPTHOIC
ACID SYNTHETASE

(Geobacillus
kaustophilus) 		PF00378
(ECH_1) 		5 ALA A 179
THR A 178
ALA A 182
VAL A 191
GLY A 115
 None
 1.00A 4qvyY-2iexA:
undetectable
4qvyZ-2iexA:
undetectable		 4qvyY-2iexA:
21.13
4qvyZ-2iexA:
26.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ifw SCYTALIDOPEPSIN B

(Scytalidium
lignicola) 		PF01828
(Peptidase_A4) 		5 ALA A  23
THR A  22
ALA A  21
VAL A 160
GLY A  55
 None
 1.03A 4qvyY-2ifwA:
undetectable
4qvyZ-2ifwA:
undetectable		 4qvyY-2ifwA:
21.19
4qvyZ-2ifwA:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j5g ALR4455 PROTEIN

(Nostoc sp. PCC
7120) 		PF00378
(ECH_1) 		5 ALA D 180
THR D 179
ALA D 183
VAL D 192
GLY D 116
 None
 1.00A 4qvyY-2j5gD:
undetectable
4qvyZ-2j5gD:
undetectable		 4qvyY-2j5gD:
22.42
4qvyZ-2j5gD:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nyf NOSTOC PUNCTIFORME
PHENYLALANINE
AMMONIA LYASE

(Nostoc
punctiforme) 		PF00221
(Lyase_aromatic) 		5 ALA A 202
THR A 201
ALA A 199
VAL A 155
GLY A 207
 None
 0.91A 4qvyY-2nyfA:
undetectable
4qvyZ-2nyfA:
undetectable		 4qvyY-2nyfA:
16.34
4qvyZ-2nyfA:
16.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ptf UNCHARACTERIZED
PROTEIN MTH_863

(Methanothermobacter
thermautotrophicus) 		PF04289
(DUF447) 		5 ALA A 150
ALA A 148
ALA A 124
VAL A 153
GLY A  58
 None
 0.91A 4qvyY-2ptfA:
undetectable
4qvyZ-2ptfA:
undetectable		 4qvyY-2ptfA:
20.62
4qvyZ-2ptfA:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uzh 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Mycolicibacterium
smegmatis) 		PF02542
(YgbB) 		5 ALA A 152
THR A 151
ALA A 150
ALA A  97
VAL A 154
 None
 0.89A 4qvyY-2uzhA:
undetectable
4qvyZ-2uzhA:
undetectable		 4qvyY-2uzhA:
21.36
4qvyZ-2uzhA:
24.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wbi ACYL-COA
DEHYDROGENASE FAMILY
MEMBER 11

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		6 THR A 336
ALA A 362
ALA A 328
ALA A 365
GLY A 289
THR A 287
 None
 1.33A 4qvyY-2wbiA:
undetectable
4qvyZ-2wbiA:
undetectable		 4qvyY-2wbiA:
20.81
4qvyZ-2wbiA:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b1f PUTATIVE PREPHENATE
DEHYDROGENASE

(Streptococcus
mutans) 		PF02153
(PDH) 		5 ALA A  53
THR A  54
ALA A  55
VAL A  50
GLY A  10
 None
None
None
None
NAD  A1001 ( 3.8A)
 0.97A 4qvyY-3b1fA:
undetectable
4qvyZ-3b1fA:
undetectable		 4qvyY-3b1fA:
22.22
4qvyZ-3b1fA:
23.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c4q PREDICTED
GLYCOSYLTRANSFERASES

(Corynebacterium
glutamicum) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		5 THR A 210
ALA A 306
ALA A 227
GLY A 329
THR A 330
 MG  A 602 ( 4.7A)
MG  A 602 (-4.6A)
None
None
MG  A 602 (-2.7A)
 1.03A 4qvyY-3c4qA:
undetectable
4qvyZ-3c4qA:
undetectable		 4qvyY-3c4qA:
20.05
4qvyZ-3c4qA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c7o ENDO-1,4-BETA-XYLANA
SE

(Bacillus
subtilis) 		PF03422
(CBM_6)
PF04616
(Glyco_hydro_43) 		5 ALA A 458
THR A 459
ALA A 407
VAL A 434
LYS A 432
 None
 0.94A 4qvyY-3c7oA:
undetectable
4qvyZ-3c7oA:
undetectable		 4qvyY-3c7oA:
19.42
4qvyZ-3c7oA:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e1e THIOESTERASE FAMILY
PROTEIN

(Ruegeria
pomeroyi) 		PF03061
(4HBT) 		5 ALA A 116
THR A 115
ALA A 114
ALA A 102
ASP A  63
 None
 1.02A 4qvyY-3e1eA:
undetectable
4qvyZ-3e1eA:
undetectable		 4qvyY-3e1eA:
19.91
4qvyZ-3e1eA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e29 UNCHARACTERIZED
PROTEIN Q7WE92_BORBR

(Bordetella
bronchiseptica) 		PF03061
(4HBT) 		6 ALA A 129
THR A 111
ALA A 110
ALA A 112
THR A  80
ASP A  67
 None
 1.23A 4qvyY-3e29A:
undetectable
4qvyZ-3e29A:
undetectable		 4qvyY-3e29A:
24.88
4qvyZ-3e29A:
18.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f6u VITAMIN K-DEPENDENT
PROTEIN C HEAVY
CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		6 ALA H  55
THR H  54
ALA H 104
ALA H  56
GLY H 211
THR H 229
 None
 1.45A 4qvyY-3f6uH:
undetectable
4qvyZ-3f6uH:
undetectable		 4qvyY-3f6uH:
23.62
4qvyZ-3f6uH:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3goc ENDONUCLEASE V

(Streptomyces
avermitilis) 		PF04493
(Endonuclease_5) 		5 ALA A  76
THR A  75
ALA A  74
VAL A   4
ASP A 102
 None
 0.80A 4qvyY-3gocA:
undetectable
4qvyZ-3gocA:
undetectable		 4qvyY-3gocA:
22.96
4qvyZ-3gocA:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gsi N,N-DIMETHYLGLYCINE
OXIDASE

(Arthrobacter
globiformis) 		PF01266
(DAO)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF16350
(FAO_M) 		5 ALA A 148
ALA A 153
ALA A 150
VAL A  53
THR A  69
 None
 1.03A 4qvyY-3gsiA:
undetectable
4qvyZ-3gsiA:
undetectable		 4qvyY-3gsiA:
13.30
4qvyZ-3gsiA:
15.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m1a PUTATIVE
DEHYDROGENASE

(Streptomyces
avermitilis) 		PF00106
(adh_short) 		5 THR A  35
ALA A  36
ALA A  55
VAL A  32
GLY A  18
 None
 0.93A 4qvyY-3m1aA:
undetectable
4qvyZ-3m1aA:
undetectable		 4qvyY-3m1aA:
21.35
4qvyZ-3m1aA:
25.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mg6 PROTEASOME COMPONENT
PRE3

(Saccharomyces
cerevisiae) 		no annotation 5 THR N   1
THR N  21
ALA N  27
LYS N  33
GLY N  47
 None
 1.01A 4qvyY-3mg6N:
16.5
4qvyZ-3mg6N:
25.1		 4qvyY-3mg6N:
26.70
4qvyZ-3mg6N:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nxp PRETHROMBIN-1

(Homo sapiens) 		PF00051
(Kringle)
PF00089
(Trypsin)
PF09396
(Thrombin_light) 		6 ALA A 455
THR A 454
ALA A 504
ALA A 456
GLY A 611
THR A 629
 None
 1.45A 4qvyY-3nxpA:
undetectable
4qvyZ-3nxpA:
undetectable		 4qvyY-3nxpA:
17.86
4qvyZ-3nxpA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oh8 NUCLEOSIDE-DIPHOSPHA
TE SUGAR EPIMERASE
(SULA FAMILY)

(Corynebacterium
glutamicum) 		PF01370
(Epimerase)
PF08338
(DUF1731) 		5 ALA A 165
THR A 164
ALA A 162
GLY A 170
THR A 169
 None
 1.02A 4qvyY-3oh8A:
undetectable
4qvyZ-3oh8A:
undetectable		 4qvyY-3oh8A:
20.59
4qvyZ-3oh8A:
18.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qi6 CYSTATHIONINE
GAMMA-SYNTHASE METB
(CGS)

(Mycobacterium
ulcerans) 		PF01053
(Cys_Met_Meta_PP) 		5 ALA A  89
ALA A  93
GLY A 113
THR A 114
ASP A 183
 None
None
SO4  A 390 ( 4.4A)
None
LLP  A 208 ( 3.1A)
 1.04A 4qvyY-3qi6A:
undetectable
4qvyZ-3qi6A:
undetectable		 4qvyY-3qi6A:
20.20
4qvyZ-3qi6A:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r0o CARNITINYL-COA
DEHYDRATASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		5 ALA A 176
THR A 175
ALA A 179
VAL A 188
GLY A 112
 None
 1.00A 4qvyY-3r0oA:
undetectable
4qvyZ-3r0oA:
undetectable		 4qvyY-3r0oA:
24.03
4qvyZ-3r0oA:
23.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t6s CERJ

(Streptomyces
tendae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ALA A 303
ALA A 168
ALA A  13
GLY A 294
THR A 293
 None
 1.02A 4qvyY-3t6sA:
undetectable
4qvyZ-3t6sA:
undetectable		 4qvyY-3t6sA:
19.83
4qvyZ-3t6sA:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tl3 SHORT-CHAIN TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
ulcerans) 		PF00106
(adh_short) 		5 ALA A  53
ALA A  66
VAL A 117
GLY A  12
THR A  11
 None
 1.03A 4qvyY-3tl3A:
undetectable
4qvyZ-3tl3A:
undetectable		 4qvyY-3tl3A:
22.02
4qvyZ-3tl3A:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3unf PROTEASOME SUBUNIT
BETA TYPE-10

(Mus musculus) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		5 THR H   1
ALA H  20
THR H  21
ALA H  27
LYS H  33
 04C  H 301 (-2.5A)
04C  H 301 (-3.9A)
04C  H 301 (-3.9A)
None
04C  H 301 (-3.5A)
 0.32A 4qvyY-3unfH:
22.8
4qvyZ-3unfH:
25.3		 4qvyY-3unfH:
25.74
4qvyZ-3unfH:
25.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vot L-AMINO ACID LIGASE,
BL00235

(Bacillus
licheniformis) 		PF13535
(ATP-grasp_4) 		5 THR A 272
ALA A 251
VAL A 219
GLY A 258
THR A 257
 None
 0.96A 4qvyY-3votA:
undetectable
4qvyZ-3votA:
undetectable		 4qvyY-3votA:
20.19
4qvyZ-3votA:
19.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w36 NAPH1

(Streptomyces
sp. CNQ525) 		no annotation 5 THR A 481
ALA A 433
THR A 434
ALA A 360
ASP A 511
 None
 1.00A 4qvyY-3w36A:
undetectable
4qvyZ-3w36A:
undetectable		 4qvyY-3w36A:
17.68
4qvyZ-3w36A:
16.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wjo OCTAPRENYL
DIPHOSPHATE SYNTHASE

(Escherichia
coli) 		PF00348
(polyprenyl_synt) 		5 ALA A  99
THR A  98
ALA A  97
ALA A 102
GLY A  42
 None
 0.94A 4qvyY-3wjoA:
undetectable
4qvyZ-3wjoA:
undetectable		 4qvyY-3wjoA:
20.00
4qvyZ-3wjoA:
22.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wxr PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		8 THR L   1
ALA L  20
THR L  21
ALA L  22
ALA L  27
VAL L  31
LYS L  33
GLY L  48
 None
 0.51A 4qvyY-3wxrL:
38.7
4qvyZ-3wxrL:
23.1		 4qvyY-3wxrL:
99.53
4qvyZ-3wxrL:
22.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wxr PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		6 THR L   1
ALA L  20
THR L  21
VAL L  31
LYS L  33
GLY L  47
 None
 0.95A 4qvyY-3wxrL:
38.7
4qvyZ-3wxrL:
23.1		 4qvyY-3wxrL:
99.53
4qvyZ-3wxrL:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Cryptococcus
neoformans) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 ALA B 457
THR B 456
ALA B 455
VAL B 472
ASP B 452
 None
 1.02A 4qvyY-4af0B:
undetectable
4qvyZ-4af0B:
undetectable		 4qvyY-4af0B:
18.73
4qvyZ-4af0B:
16.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cgr PUTATIVE TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		5 THR A 154
ALA A  94
ALA A 111
VAL A 194
GLY A  87
 None
 1.03A 4qvyY-4cgrA:
undetectable
4qvyZ-4cgrA:
undetectable		 4qvyY-4cgrA:
20.98
4qvyZ-4cgrA:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dio NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA PART 1

(Sinorhizobium
meliloti) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		5 ALA A 211
ALA A 168
ALA A 172
VAL A 201
GLY A 205
 None
 1.04A 4qvyY-4dioA:
undetectable
4qvyZ-4dioA:
undetectable		 4qvyY-4dioA:
21.32
4qvyZ-4dioA:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dvj PUTATIVE
ZINC-DEPENDENT
ALCOHOL
DEHYDROGENASE
PROTEIN

(Rhizobium etli) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 ALA A 202
THR A 203
ALA A 204
VAL A 200
GLY A 185
 None
 0.91A 4qvyY-4dvjA:
undetectable
4qvyZ-4dvjA:
undetectable		 4qvyY-4dvjA:
19.17
4qvyZ-4dvjA:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f47 ENOYL-COA HYDRATASE
ECHA19

(Mycobacterium
marinum) 		PF00378
(ECH_1) 		5 ALA A 184
THR A 183
ALA A 187
VAL A 196
GLY A 120
 None
 0.99A 4qvyY-4f47A:
undetectable
4qvyZ-4f47A:
undetectable		 4qvyY-4f47A:
23.33
4qvyZ-4f47A:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fxg MANNAN-BINDING
LECTIN SERINE
PROTEASE 2 B CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 ALA H 484
ALA H 469
ALA H 633
GLY H 464
THR H 466
 None
 1.01A 4qvyY-4fxgH:
undetectable
4qvyZ-4fxgH:
undetectable		 4qvyY-4fxgH:
24.02
4qvyZ-4fxgH:
24.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fzw 2,3-DEHYDROADIPYL-CO
A HYDRATASE

(Escherichia
coli) 		PF00378
(ECH_1) 		5 ALA A 165
THR A 164
ALA A 168
VAL A 177
GLY A 101
 None
 0.95A 4qvyY-4fzwA:
undetectable
4qvyZ-4fzwA:
undetectable		 4qvyY-4fzwA:
24.54
4qvyZ-4fzwA:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g4e ATP-DEPENDENT
PROTEASE SUBUNIT
HSLV

(Escherichia
coli) 		PF00227
(Proteasome) 		6 THR A   1
ALA A  20
THR A  21
VAL A  31
LYS A  33
GLY A  49
 None
 0.67A 4qvyY-4g4eA:
21.0
4qvyZ-4g4eA:
4.7		 4qvyY-4g4eA:
28.51
4qvyZ-4g4eA:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g4e ATP-DEPENDENT
PROTEASE SUBUNIT
HSLV

(Escherichia
coli) 		PF00227
(Proteasome) 		6 THR A   1
ALA A  20
VAL A  31
LYS A  33
GLY A  49
THR A  50
 None
 0.78A 4qvyY-4g4eA:
21.0
4qvyZ-4g4eA:
4.7		 4qvyY-4g4eA:
28.51
4qvyZ-4g4eA:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iw4 MANNAN-BINDING
LECTIN SERINE
PROTEASE 3

(Homo sapiens) 		PF00089
(Trypsin) 		6 ALA E 476
THR E 475
ALA E 536
ALA E 477
GLY E 663
THR E 683
 None
 1.49A 4qvyY-4iw4E:
undetectable
4qvyZ-4iw4E:
undetectable		 4qvyY-4iw4E:
22.19
4qvyZ-4iw4E:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j6e UDP-2,3-DIACYLGLUCOS
AMINE
PYROPHOSPHATASE LPXI

(Caulobacter
vibrioides) 		PF06230
(DUF1009) 		5 ALA A 213
ALA A 215
ALA A 159
VAL A 211
GLY A 273
 None
 1.04A 4qvyY-4j6eA:
undetectable
4qvyZ-4j6eA:
undetectable		 4qvyY-4j6eA:
23.05
4qvyZ-4j6eA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kam O-ACETYLHOMOSERINE
SULFHYDRYLASE METC

(Mycobacterium
marinum) 		PF01053
(Cys_Met_Meta_PP) 		6 THR A 102
ALA A 100
ALA A 104
GLY A 124
THR A 125
ASP A 195
 None
 1.14A 4qvyY-4kamA:
undetectable
4qvyZ-4kamA:
undetectable		 4qvyY-4kamA:
19.28
4qvyZ-4kamA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00171
(Aldedh) 		6 ALA A  66
ALA A  68
ALA A  65
VAL A 190
GLY A 160
ASP A 237
 None
None
None
None
GAI  A 605 ( 4.1A)
None
 1.45A 4qvyY-4kwgA:
undetectable
4qvyZ-4kwgA:
undetectable		 4qvyY-4kwgA:
18.37
4qvyZ-4kwgA:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nx9 FLAGELLIN

(Pseudomonas
aeruginosa) 		PF00669
(Flagellin_N)
PF00700
(Flagellin_C) 		5 ALA A 269
THR A 182
ALA A 214
VAL A 190
GLY A 210
 None
 1.03A 4qvyY-4nx9A:
undetectable
4qvyZ-4nx9A:
undetectable		 4qvyY-4nx9A:
20.07
4qvyZ-4nx9A:
24.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oqf PROTEIN RECA

(Mycobacterium
tuberculosis) 		PF00154
(RecA) 		5 ALA A  51
ALA A  47
ALA A 259
VAL A 247
GLY A  56
 None
 0.84A 4qvyY-4oqfA:
undetectable
4qvyZ-4oqfA:
undetectable		 4qvyY-4oqfA:
22.35
4qvyZ-4oqfA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pcv BDCA (YJGI)

(Escherichia
coli) 		PF13561
(adh_short_C2) 		5 ALA A  53
THR A  54
ALA A  55
ALA A  48
VAL A  27
 None
 1.04A 4qvyY-4pcvA:
undetectable
4qvyZ-4pcvA:
undetectable		 4qvyY-4pcvA:
21.26
4qvyZ-4pcvA:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pz2 ZMALDH

(Zea mays) 		PF00171
(Aldedh) 		6 ALA A  82
ALA A  84
ALA A  81
VAL A 205
GLY A 175
ASP A 252
 None
 1.43A 4qvyY-4pz2A:
undetectable
4qvyZ-4pz2A:
undetectable		 4qvyY-4pz2A:
17.93
4qvyZ-4pz2A:
19.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qtf L,D-TRANSPEPTIDASE
LDTB

(Mycobacterium
tuberculosis) 		PF03734
(YkuD) 		5 ALA A 137
THR A 138
ALA A 128
ALA A 130
VAL A  59
 None
 0.91A 4qvyY-4qtfA:
undetectable
4qvyZ-4qtfA:
undetectable		 4qvyY-4qtfA:
22.09
4qvyZ-4qtfA:
20.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qv9 PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		7 ALA K  20
THR K  21
ALA K  22
ALA K  27
VAL K  31
LYS K  33
GLY K  47
 None
 0.81A 4qvyY-4qv9K:
39.5
4qvyZ-4qv9K:
23.3		 4qvyY-4qv9K:
99.06
4qvyZ-4qv9K:
21.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qv9 PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		8 THR K   1
ALA K  20
THR K  21
ALA K  22
ALA K  27
VAL K  31
LYS K  33
GLY K  48
 None
 0.42A 4qvyY-4qv9K:
39.5
4qvyZ-4qv9K:
23.3		 4qvyY-4qv9K:
99.06
4qvyZ-4qv9K:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4s28 PHOSPHOMETHYLPYRIMID
INE SYNTHASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01964
(ThiC_Rad_SAM) 		5 THR A 479
ALA A 476
ALA A 512
ALA A 516
GLY A 470
 None
 0.82A 4qvyY-4s28A:
undetectable
4qvyZ-4s28A:
undetectable		 4qvyY-4s28A:
17.52
4qvyZ-4s28A:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u1a ENOYL-COA DELTA
ISOMERASE 2

(Homo sapiens) 		PF00378
(ECH_1) 		5 ALA A 273
THR A 272
ALA A 276
VAL A 285
GLY A 209
 None
 0.99A 4qvyY-4u1aA:
undetectable
4qvyZ-4u1aA:
undetectable		 4qvyY-4u1aA:
20.38
4qvyZ-4u1aA:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y4m PUTATIVE RIBOSE
1,5-BISPHOSPHATE
ISOMERASE

(Methanocaldococcus
jannaschii) 		PF01946
(Thi4) 		5 ALA A 130
ALA A 124
ALA A 128
VAL A  62
GLY A  48
 None
 1.00A 4qvyY-4y4mA:
undetectable
4qvyZ-4y4mA:
undetectable		 4qvyY-4y4mA:
25.77
4qvyZ-4y4mA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yte H(2)-FORMING
METHYLENETETRAHYDROM
ETHANOPTERIN
DEHYDROGENASE-RELATE
D PROTEIN MJ0715

(Methanocaldococcus
jannaschii) 		no annotation 5 THR A 115
THR A  95
ALA A  99
GLY A   7
ASP A  75
 None
 0.99A 4qvyY-4yteA:
undetectable
4qvyZ-4yteA:
undetectable		 4qvyY-4yteA:
19.82
4qvyZ-4yteA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cxp POSSIBLE XYLAN
DEGRADATION ENZYME
(GLYCOSYL HYDROLASE
FAMILY 30-LIKE
DOMAIN AND RICIN
B-LIKE DOMAIN)

(Clostridium
acetobutylicum) 		PF02055
(Glyco_hydro_30) 		5 THR A   7
ALA A   6
ALA A 303
VAL A  10
GLY A 371
 None
 0.96A 4qvyY-5cxpA:
undetectable
4qvyZ-5cxpA:
undetectable		 4qvyY-5cxpA:
18.02
4qvyZ-5cxpA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fmg BETA3 PROTEASOME
SUBUNIT, PUTATIVE
PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		6 THR I   1
ALA I  20
THR I  21
ALA I  27
LYS I  33
ASP J 138
 7F1  I 300 (-2.7A)
7F1  I 300 (-3.6A)
None
7F1  I 300 ( 3.8A)
7F1  I 300 (-4.7A)
7F1  I 300 (-2.6A)
 1.16A 4qvyY-5fmgI:
21.6
4qvyZ-5fmgI:
23.4		 4qvyY-5fmgI:
25.86
4qvyZ-5fmgI:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fmg PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		5 ALA I  20
THR I  21
ALA I  27
LYS I  33
GLY I  47
 7F1  I 300 (-3.6A)
None
7F1  I 300 ( 3.8A)
7F1  I 300 (-4.7A)
7F1  I 300 (-3.8A)
 0.98A 4qvyY-5fmgI:
21.6
4qvyZ-5fmgI:
23.4		 4qvyY-5fmgI:
25.86
4qvyZ-5fmgI:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hwq HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Myxococcus
xanthus) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 THR A  53
ALA A  57
ALA A  60
VAL A  96
GLY A  81
 None
 1.04A 4qvyY-5hwqA:
undetectable
4qvyZ-5hwqA:
undetectable		 4qvyY-5hwqA:
18.96
4qvyZ-5hwqA:
19.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5idq SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Burkholderia
vietnamiensis) 		PF00106
(adh_short) 		5 ALA A  30
THR A  31
ALA A  32
ALA A  48
VAL A  28
 None
 0.87A 4qvyY-5idqA:
undetectable
4qvyZ-5idqA:
undetectable		 4qvyY-5idqA:
22.69
4qvyZ-5idqA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5idq SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Burkholderia
vietnamiensis) 		PF00106
(adh_short) 		5 ALA A  30
THR A  31
ALA A  48
VAL A  28
GLY A  14
 None
 0.85A 4qvyY-5idqA:
undetectable
4qvyZ-5idqA:
undetectable		 4qvyY-5idqA:
22.69
4qvyZ-5idqA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5it0 PHOSPHOSERINE
PHOSPHATASE

(Mycobacterium
avium) 		PF12710
(HAD)
PF13740
(ACT_6) 		5 ALA A 170
ALA A 372
VAL A 339
LYS A 181
GLY A 387
 None
 1.00A 4qvyY-5it0A:
undetectable
4qvyZ-5it0A:
undetectable		 4qvyY-5it0A:
20.00
4qvyZ-5it0A:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iuy MULTIDRUG EFFLUX
OUTER MEMBRANE
PROTEIN OPRN

(Pseudomonas
aeruginosa) 		PF02321
(OEP) 		6 THR A   9
ALA A 276
THR A 279
ALA A 280
ALA A 277
ASP A 132
 None
 1.33A 4qvyY-5iuyA:
undetectable
4qvyZ-5iuyA:
undetectable		 4qvyY-5iuyA:
18.32
4qvyZ-5iuyA:
19.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j9h ENVELOPMENT
POLYPROTEIN

(Puumala
orthohantavirus) 		PF01561
(Hanta_G2) 		5 THR A 771
THR A 788
ALA A 789
ALA A 742
GLY A 747
 None
 0.92A 4qvyY-5j9hA:
undetectable
4qvyZ-5j9hA:
undetectable		 4qvyY-5j9hA:
18.97
4qvyZ-5j9hA:
17.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l5w PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 ALA K  20
THR K  21
VAL K  31
LYS K  33
GLY K  47
 None
 0.83A 4qvyY-5l5wK:
29.8
4qvyZ-5l5wK:
23.5		 4qvyY-5l5wK:
82.08
4qvyZ-5l5wK:
23.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l5w PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		8 THR K   1
ALA K  20
THR K  21
ALA K  22
ALA K  27
VAL K  31
LYS K  33
GLY K  48
 None
 0.61A 4qvyY-5l5wK:
29.8
4qvyZ-5l5wK:
23.5		 4qvyY-5l5wK:
82.08
4qvyZ-5l5wK:
23.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lzl DELTA-AMINOLEVULINIC
ACID DEHYDRATASE

(Pyrobaculum
calidifontis) 		PF00490
(ALAD) 		5 ALA A 160
ALA A 187
ALA A 157
VAL A 124
GLY A 197
 None
 1.04A 4qvyY-5lzlA:
undetectable
4qvyZ-5lzlA:
undetectable		 4qvyY-5lzlA:
20.06
4qvyZ-5lzlA:
21.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5m2b PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 ALA K  20
ALA K  22
VAL K  31
LYS K  33
GLY K  47
 7DX  K 301 ( 4.0A)
None
7DX  K 301 (-4.2A)
7DX  K 301 (-4.2A)
7DX  K 301 (-3.8A)
 0.91A 4qvyY-5m2bK:
31.1
4qvyZ-5m2bK:
23.9		 4qvyY-5m2bK:
76.42
4qvyZ-5m2bK:
23.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5m2b PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR K   1
ALA K  20
ALA K  22
VAL K  31
LYS K  33
 7DX  K 301 (-3.3A)
7DX  K 301 ( 4.0A)
None
7DX  K 301 (-4.2A)
7DX  K 301 (-4.2A)
 0.24A 4qvyY-5m2bK:
31.1
4qvyZ-5m2bK:
23.9		 4qvyY-5m2bK:
76.42
4qvyZ-5m2bK:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n8o DNA HELICASE I

(Escherichia
coli) 		PF07057
(TraI)
PF08751
(TrwC)
PF13604
(AAA_30) 		5 ALA A 895
ALA A 891
ALA A 867
GLY A 900
THR A 899
 None
 1.01A 4qvyY-5n8oA:
undetectable
4qvyZ-5n8oA:
undetectable		 4qvyY-5n8oA:
9.20
4qvyZ-5n8oA:
8.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0g PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		PF00227
(Proteasome) 		6 ALA R  20
THR R  21
ALA R  22
VAL R  31
LYS R  33
GLY R  47
 None
 1.03A 4qvyY-5t0gR:
24.6
4qvyZ-5t0gR:
23.9		 4qvyY-5t0gR:
64.90
4qvyZ-5t0gR:
22.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0g PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		PF00227
(Proteasome) 		6 THR R   1
ALA R  20
ALA R  22
VAL R  31
LYS R  33
GLY R  48
 None
 1.02A 4qvyY-5t0gR:
24.6
4qvyZ-5t0gR:
23.9		 4qvyY-5t0gR:
64.90
4qvyZ-5t0gR:
22.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0g PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		PF00227
(Proteasome) 		7 THR R   1
ALA R  20
THR R  21
ALA R  22
ALA R  27
VAL R  31
LYS R  33
 None
 0.98A 4qvyY-5t0gR:
24.6
4qvyZ-5t0gR:
23.9		 4qvyY-5t0gR:
64.90
4qvyZ-5t0gR:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5to3 PROTHROMBIN,THROMBOM
ODULIN

(Homo sapiens) 		PF00089
(Trypsin)
PF09064
(Tme5_EGF_like) 		6 ALA B  56
THR B  55
ALA B 116
ALA B  57
GLY B 238
THR B 256
 None
 1.49A 4qvyY-5to3B:
undetectable
4qvyZ-5to3B:
undetectable		 4qvyY-5to3B:
18.56
4qvyZ-5to3B:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vfr PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		no annotation 7 ALA R  20
THR R  21
ALA R  22
ALA R  27
VAL R  31
LYS R  33
GLY R  47
 None
 1.05A 4qvyY-5vfrR:
25.2
4qvyZ-5vfrR:
23.6		 4qvyY-5vfrR:
undetectable
4qvyZ-5vfrR:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vfr PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		no annotation 8 THR R   1
ALA R  20
THR R  21
ALA R  22
ALA R  27
VAL R  31
LYS R  33
GLY R  48
 None
 0.59A 4qvyY-5vfrR:
25.2
4qvyZ-5vfrR:
23.6		 4qvyY-5vfrR:
undetectable
4qvyZ-5vfrR:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yht HISTIDINOL-PHOSPHATA
SE

(Mycobacterium
tuberculosis) 		no annotation 5 ALA A 204
ALA A 242
ALA A 244
VAL A 201
GLY A 188
 None
 0.92A 4qvyY-5yhtA:
undetectable
4qvyZ-5yhtA:
undetectable		 4qvyY-5yhtA:
15.38
4qvyZ-5yhtA:
13.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zbl CYTOKININ RIBOSIDE
5'-MONOPHOSPHATE
PHOSPHORIBOHYDROLASE

(Corynebacterium
glutamicum) 		no annotation 5 ALA A  31
THR A  28
ALA A  30
GLY A  18
THR A  17
 None
None
None
PO4  A 303 (-3.6A)
None
 1.04A 4qvyY-5zblA:
undetectable
4qvyZ-5zblA:
undetectable		 4qvyY-5zblA:
18.87
4qvyZ-5zblA:
18.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6avo PROTEASOME SUBUNIT
BETA TYPE-10

(Homo sapiens) 		no annotation 5 THR B   1
ALA B  20
THR B  21
ALA B  27
LYS B  33
 None
 0.55A 4qvyY-6avoB:
12.5
4qvyZ-6avoB:
21.1		 4qvyY-6avoB:
20.44
4qvyZ-6avoB:
18.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6avo PROTEASOME SUBUNIT
BETA TYPE-8

(Homo sapiens) 		no annotation 5 ALA C  20
ALA C  22
VAL C  31
LYS C  33
GLY C  47
 BZ7  C 301 (-3.5A)
BZ7  C 301 (-3.5A)
BZ7  C 301 (-3.5A)
BZ7  C 301 ( 4.8A)
BZ7  C 301 (-4.5A)
 1.03A 4qvyY-6avoC:
25.6
4qvyZ-6avoC:
24.5		 4qvyY-6avoC:
65.00
4qvyZ-6avoC:
17.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6avo PROTEASOME SUBUNIT
BETA TYPE-8

(Homo sapiens) 		no annotation 5 THR C   1
ALA C  20
ALA C  22
VAL C  31
LYS C  33
 BZ7  C 301 (-4.0A)
BZ7  C 301 (-3.5A)
BZ7  C 301 (-3.5A)
BZ7  C 301 (-3.5A)
BZ7  C 301 ( 4.8A)
 0.61A 4qvyY-6avoC:
25.6
4qvyZ-6avoC:
24.5		 4qvyY-6avoC:
65.00
4qvyZ-6avoC:
17.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c62 BIURET HYDROLASE

(Pseudomonas sp.
ADP) 		no annotation 6 ALA A 371
ALA A 179
ALA A 413
GLY A 398
THR A 401
ASP A 170
 None
 1.34A 4qvyY-6c62A:
undetectable
4qvyZ-6c62A:
undetectable		 4qvyY-6c62A:
16.04
4qvyZ-6c62A:
18.48